4-benzylidene-5-(1-hydroxyethylidene)furan-3-carbonitrile

C14H11NO2 — CID 57181534

IUPAC4-benzylidene-5-(1-hydroxyethylidene)furan-3-carbonitrile
SMILESCC(O)=c1occ(C#N)c1=Cc1ccccc1
InChIInChI=1S/C14H11NO2/c1-10(16)14-13(12(8-15)9-17-14)7-11-5-3-2-4-6-11/h2-7,9,16H,1H3
InChIKeyPWWCDAICHZNLNC-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.67
Rot. Bonds1

About 4-benzylidene-5-(1-hydroxyethylidene)furan-3-carbonitrile

4-benzylidene-5-(1-hydroxyethylidene)furan-3-carbonitrile (PubChem CID 57181534) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-benzylidene-5-(1-hydroxyethylidene)furan-3-carbonitrile.

Molecular Properties

Compound Name4-benzylidene-5-(1-hydroxyethylidene)furan-3-carbonitrile
PubChem CID57181534
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name4-benzylidene-5-(1-hydroxyethylidene)furan-3-carbonitrile
SMILESCC(O)=c1occ(C#N)c1=Cc1ccccc1
InChIInChI=1S/C14H11NO2/c1-10(16)14-13(12(8-15)9-17-14)7-11-5-3-2-4-6-11/h2-7,9,16H,1H3
InChIKeyPWWCDAICHZNLNC-UHFFFAOYSA-N
XLogP1.67
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(Z)-3-hydroxy-2-methyl-3-phenylprop-2-enenitrile
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2,3-diphenylbenzene-1,4-dicarbonitrile
CID 174765818
3-phenyl-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carbonitrile
CID 134909030
(7E)-7-benzylidene-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile
CID 100933707
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CID 135017042
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Frequently Asked Questions

What is the IUPAC name of 4-benzylidene-5-(1-hydroxyethylidene)furan-3-carbonitrile?
The IUPAC name of 4-benzylidene-5-(1-hydroxyethylidene)furan-3-carbonitrile (CID 57181534) is 4-benzylidene-5-(1-hydroxyethylidene)furan-3-carbonitrile.
What is the SMILES notation for 4-benzylidene-5-(1-hydroxyethylidene)furan-3-carbonitrile?
The canonical SMILES for 4-benzylidene-5-(1-hydroxyethylidene)furan-3-carbonitrile is CC(O)=c1occ(C#N)c1=Cc1ccccc1.
What is the InChIKey of 4-benzylidene-5-(1-hydroxyethylidene)furan-3-carbonitrile?
The InChIKey is PWWCDAICHZNLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c1-10(16)14-13(12(8-15)9-17-14)7-11-5-3-2-4-6-11/h2-7,9,16H,1H3.
What are the key properties of 4-benzylidene-5-(1-hydroxyethylidene)furan-3-carbonitrile?
4-benzylidene-5-(1-hydroxyethylidene)furan-3-carbonitrile has a molecular weight of 225.25 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylidene-5-(1-hydroxyethylidene)furan-3-carbonitrile is sourced from PubChem (CID 57181534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).